Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
TL;DR: Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate (CAS 40801-09-0) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
Also Known As: dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate, 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylic acid dimethyl ester, RefChem:338486
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 40801-09-0 |
|---|---|
| SMILES | CC1=C(C(=C(N1)C)C(=O)OC)C(=O)OC |
| InChIKey | LQWZQGXYZHIWML-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate (CAS 40801-09-0), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
Property Insights of Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate?
The CAS number of Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate is 40801-09-0.
What is the molecular formula of Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate?
The molecular formula of Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate is C10H13NO4.
What is the molecular weight of Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate?
The molecular weight of Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate is 211.08 g/mol.
Where can I buy Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate?
You can request a quote for Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.